(8R)-2-(6-methoxypyrimidin-4-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane

C19H25N5O3 — CID 124913139

About (8R)-2-(6-methoxypyrimidin-4-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane

(8R)-2-(6-methoxypyrimidin-4-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124913139) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (8R)-2-(6-methoxypyrimidin-4-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: (8R)-2-(6-methoxypyrimidin-4-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane
• PubChem CID: 124913139
• Molecular Formula: C19H25N5O3
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.20
• IUPAC Name: (8R)-2-(6-methoxypyrimidin-4-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane
• SMILES: COc1cc(N2CC3(C[C@@H](CCOc4cncc(C)n4)CCO3)C2)ncn1
• InChI: InChI=1S/C19H25N5O3/c1-14-9-20-10-18(23-14)26-5-3-15-4-6-27-19(8-15)11-24(12-19)16-7-17(25-2)22-13-21-16/h7,9-10,13,15H,3-6,8,11-12H2,1-2H3/t15-/m0/s1
• InChIKey: IGNFCFCRVWDKKT-HNNXBMFYSA-N
• XLogP: 2.04
• TPSA: 82.49 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (8R)-2-(6-methoxypyrimidin-4-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane?

The IUPAC name of (8R)-2-(6-methoxypyrimidin-4-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane (CID 124913139) is (8R)-2-(6-methoxypyrimidin-4-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane.

What is the SMILES notation for (8R)-2-(6-methoxypyrimidin-4-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane?

The canonical SMILES for (8R)-2-(6-methoxypyrimidin-4-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane is COc1cc(N2CC3(C[C@@H](CCOc4cncc(C)n4)CCO3)C2)ncn1.

What is the InChIKey of (8R)-2-(6-methoxypyrimidin-4-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane?

The InChIKey is IGNFCFCRVWDKKT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-14-9-20-10-18(23-14)26-5-3-15-4-6-27-19(8-15)11-24(12-19)16-7-17(25-2)22-13-21-16/h7,9-10,13,15H,3-6,8,11-12H2,1-2H3/t15-/m0/s1.

What are the key properties of (8R)-2-(6-methoxypyrimidin-4-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane?

(8R)-2-(6-methoxypyrimidin-4-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 371.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (8R)-2-(6-methoxypyrimidin-4-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124913139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).